CHEMBL4474399
IC50 = 0.50 microM (AChE); 0.76 microM (BuChE); Ki = 228.2 nM (H3R)
General
Type : Multitarget, Piperidine, Chromen, Histamine-Receptor3-H3-Antagonist
Chemical_Nomenclature : 6-methyl-2-[4-(6-piperidin-1-ylhexoxy)phenyl]chromen-4-one
Canonical SMILES : CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)OCCCCCCN4CCCCC4
InChI : InChI=1S\/C27H33NO3\/c1-21-9-14-26-24(19-21)25(29)20-27(31-26)22-10-12-23(13-11-22)30-18-8-3-2-5-15-28-16-6-4-7-17-28\/h9-14,19-20H,2-8,15-18H2,1H3
InChIKey : NDDYCWJCTGXGIS-UHFFFAOYSA-N
Other name(s) : BDBM50519412 || Compound 17
MW : 419.6
Formula : C27H33NO3
CAS_number :
PubChem : 155536937
UniChem : NDDYCWJCTGXGIS-UHFFFAOYSA-N
Target
Families : CHEMBL4474399 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Search for new multi-target compounds against Alzheimer's disease among histamine H3 receptor ligands - Bajda_2019_Eur.J.Med.Chem_185_111785 |
| Author(s) : Bajda M , Lazewska D , Godyn J , Zareba P , Kuder K , Hagenow S , Latka K , Stawarska E , Stark H , Kiec-Kononowicz K , Malawska B |
| Ref : Eur Journal of Medicinal Chemistry , 185 :111785 , 2019 |
| Abstract : |
| PubMedSearch : Bajda_2019_Eur.J.Med.Chem_185_111785 |
| PubMedID: 31669851 |